HRID1117018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID124656

Isoquinoline-3-carboxylic acid

C10H7NO2

HCID130500

未命名化合物

结构：Nc1nc2c(C(=O)OCc3ccccc3)cc(OCc3ccccc3)cc2[nH]1

HCID66940648

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1nc2cc(OCc3ccccc3)cc(C(=O)OCc3ccccc3)c2[nH]1)c1cc2ccccc2cn1

HCID178522502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e454c04eeb0d442d848ba90c1c89ba39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:47]([c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[O:54][C:55](=[O:56])[c:57]1[cH:58][c:59]([O:67][CH2:68][c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:60][c:61]2[nH:62][c:63]([NH2:66])[n:64][c:65]12.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[cH:1]1[n:2][c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[cH:1]1[n:2][c:3]([C:11](=[O:13])[NH:66][c:63]2[n:62][c:61]3[cH:60][c:59]([O:67][CH2:68][c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:58][c:57]([C:55]([O:54][CH2:47][c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)=[O:56])[c:65]3[nH:64]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12